| CAS Number | 73547-13-4 |
| Catalog Number | AG019UNC(AGN-PC-0WO2FX) |
| Chemical Name | 3-[(2-Methylpropane)sulfonyl]propanoic acid |
| IUPAC Name | 3-(2-methylpropylsulfonyl)propanoic acid |
| InChI | InChI=1S/C7H14O4S/c1-6(2)5-12(10,11)4-3-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChI Key | XJLPWYIJJYRDRS-UHFFFAOYSA-N |
| MDL Number | MFCD09950098 |
| Molecular Formula | C7H14O4S |
| Molecular Weight | 194.2487 |
| SMILES | CC(CS(CCC(O)=O)(=O)=O)C |
| Synonyms | 3-(2-methylpropanesulfonyl)propanoic acid,
73547-13-4,
3-[(2-methylpropane)sulfonyl]propanoic acid,
AC1Q1PU0,
SCHEMBL11252113,
ZINC19518216,
AKOS000195884,
MCULE-8061657494,
NE33364,
NCGC00341592-01,
EN300-42209,
AB01002297-01,
AB01002297-03,
A1-08281,
Z426041606,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.245g/mol |
| Monoisotopic Mass | 194.061g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number